3-[(3R)-3-ethoxycarbonyl-2-oxidanylidene-3-(phenylmethyl)indol-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(3R)-3-ethoxycarbonyl-2-oxidanylidene-3-(phenylmethyl)indol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(3R)-3-benzyl-3-ethoxycarbonyl-2-oxo-indolin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(3R)-3-ethoxycarbonyl-2-oxo-3-(phenylmethyl)-1-indolyl]propyl-dimethylammonium IUPAC Name: 3-[(3R)-3-benzyl-3-ethoxycarbonyl-2-oxoindol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(3R)-3-benzyl-3-carbethoxy-2-keto-indolin-1-yl]propyl-dimethyl-ammonium Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2=CC=CC=C2N(C1=O)CCC[NH+](C)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(C2=CC=CC=C2N(C1=O)CCC[NH+](C)C)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3/c1-4-28-22(27)23(17-18-11-6-5-7-12-18)19-13-8-9-14-20(19)25(21(23)26)16-10-15-24(2)3/h5-9,11-14H,4,10,15-17H2,1-3H3/p+1/t23-/m1/s1